Geometry & MOs

Info

ID:	143430
PubChem CID:	53208062
Reduced:	O3N6C21H28 (1)
Stoich.:	A3B6C21D28 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-26.35
Dipole, Da:	4.04
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]benzoate

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC(=O)N3C(=N2)N=C(N3)NCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations